Towards less hazardous industrial compounds: coupling quantum mechanical computations, biomarker responses and behavioral profiles identify bioactivity of SN2 electrophiles in alternative vertebrate models.
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DOI: 10.1021/acs.chemrestox.9b00290
Abstract: Sustainable molecular design of less hazardous chemicals promises to reduce risks to public health and the environment. Computational chemistry modeling coupled with alternative toxicology models (e.g., larval fish) present unique high-throughput opportunities to understand structural… read more here.
Keywords: sn2; sn2 electrophiles; alternative vertebrate; less hazardous ... See more keywords